N-(2-chloro-6-methylphenyl)-2-[[4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-[4-(pyridine-4-carbonyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide

C123H117Cl6F3N46O6S5 — CID 161258467

About N-(2-chloro-6-methylphenyl)-2-[[4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-[4-(pyridine-4-carbonyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide

N-(2-chloro-6-methylphenyl)-2-[[4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-[4-(pyridine-4-carbonyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 161258467) has the molecular formula C123H117Cl6F3N46O6S5 and a molecular weight of 2765.65 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-[4-(pyridine-4-carbonyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(2-chloro-6-methylphenyl)-2-[[4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-[4-(pyridine-4-carbonyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
• PubChem CID: 161258467
• Molecular Formula: C123H117Cl6F3N46O6S5
• Molecular Weight: 2765.65 g/mol
• Exact Mass: 2760.70
• IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-[4-(pyridine-4-carbonyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(N2CCN(C(=O)c3ccncc3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(N2CCN(c3cccc(Cl)c3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(N2CCN(c3ncccn3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(N2CCN(c3nccnc3C#N)CC2)n1
• InChI: InChI=1S/C26H24ClF3N8OS.C25H24Cl2N8OS.C25H24ClN9O2S.C24H22ClN11OS.C23H23ClN10OS/c1-15-5-3-8-19(27)21(15)34-22(39)20-14-31-25(40-20)36-23-32-16(2)33-24(35-23)38-11-9-37(10-12-38)18-7-4-6-17(13-18)26(28,29)30;1-15-5-3-8-19(27)21(15)31-22(36)20-14-28-25(37-20)33-23-29-16(2)30-24(32-23)35-11-9-34(10-12-35)18-7-4-6-17(26)13-18;1-15-4-3-5-18(26)20(15)31-21(36)19-14-28-25(38-19)33-23-29-16(2)30-24(32-23)35-12-10-34(11-13-35)22(37)17-6-8-27-9-7-17;1-14-4-3-5-16(25)19(14)32-21(37)18-13-29-24(38-18)34-22-30-15(2)31-23(33-22)36-10-8-35(9-11-36)20-17(12-26)27-6-7-28-20;1-14-5-3-6-16(24)18(14)30-19(35)17-13-27-23(36-17)32-20-28-15(2)29-22(31-20)34-11-9-33(10-12-34)21-25-7-4-8-26-21/h3-8,13-14H,9-12H2,1-2H3,(H,34,39)(H,31,32,33,35,36);3-8,13-14H,9-12H2,1-2H3,(H,31,36)(H,28,29,30,32,33);3-9,14H,10-13H2,1-2H3,(H,31,36)(H,28,29,30,32,33);3-7,13H,8-11H2,1-2H3,(H,32,37)(H,29,30,31,33,34);3-8,13H,9-12H2,1-2H3,(H,30,35)(H,27,28,29,31,32)
• InChIKey: VCFXRJMXNDYYMZ-UHFFFAOYSA-N
• XLogP: 22.76
• TPSA: 601.16 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 51
• Rotatable Bonds: 30
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2765.65
LogP ≤ 5	22.76
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	51

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-[4-(pyridine-4-carbonyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?

The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-[4-(pyridine-4-carbonyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide (CID 161258467) is N-(2-chloro-6-methylphenyl)-2-[[4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-[4-(pyridine-4-carbonyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[[4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-[4-(pyridine-4-carbonyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[[4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-[4-(pyridine-4-carbonyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide is Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(N2CCN(C(=O)c3ccncc3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(N2CCN(c3cccc(Cl)c3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(N2CCN(c3ncccn3)CC2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(N2CCN(c3nccnc3C#N)CC2)n1.

What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[[4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-[4-(pyridine-4-carbonyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?

The InChIKey is VCFXRJMXNDYYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClF3N8OS.C25H24Cl2N8OS.C25H24ClN9O2S.C24H22ClN11OS.C23H23ClN10OS/c1-15-5-3-8-19(27)21(15)34-22(39)20-14-31-25(40-20)36-23-32-16(2)33-24(35-23)38-11-9-37(10-12-38)18-7-4-6-17(13-18)26(28,29)30;1-15-5-3-8-19(27)21(15)31-22(36)20-14-28-25(37-20)33-23-29-16(2)30-24(32-23)35-11-9-34(10-12-35)18-7-4-6-17(26)13-18;1-15-4-3-5-18(26)20(15)31-21(36)19-14-28-25(38-19)33-23-29-16(2)30-24(32-23)35-12-10-34(11-13-35)22(37)17-6-8-27-9-7-17;1-14-4-3-5-16(25)19(14)32-21(37)18-13-29-24(38-18)34-22-30-15(2)31-23(33-22)36-10-8-35(9-11-36)20-17(12-26)27-6-7-28-20;1-14-5-3-6-16(24)18(14)30-19(35)17-13-27-23(36-17)32-20-28-15(2)29-22(31-20)34-11-9-33(10-12-34)21-25-7-4-8-26-21/h3-8,13-14H,9-12H2,1-2H3,(H,34,39)(H,31,32,33,35,36);3-8,13-14H,9-12H2,1-2H3,(H,31,36)(H,28,29,30,32,33);3-9,14H,10-13H2,1-2H3,(H,31,36)(H,28,29,30,32,33);3-7,13H,8-11H2,1-2H3,(H,32,37)(H,29,30,31,33,34);3-8,13H,9-12H2,1-2H3,(H,30,35)(H,27,28,29,31,32).

What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-[4-(pyridine-4-carbonyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide?

N-(2-chloro-6-methylphenyl)-2-[[4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-[4-(pyridine-4-carbonyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 2765.65 g/mol, XLogP of 22.76, 30 rotatable bonds, 10 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-6-methylphenyl)-2-[[4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-[4-(pyridine-4-carbonyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 161258467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).